Compile Data Set for Download or QSAR

Found 527 hits Enz. Inhib. hit(s) with all data for entry = 536   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276896 (US10072001, Example 82 | US10259811, Example 82) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C30H31N5O2/c1-34-12-14-35(15-13-34)24-5-2-21(3-6-24)28-19-27-26(8-11-32-30(27)33-28)22-4-7-29(23(18-22)20-31)37-25-9-16-36-17-10-25/h2-8,11,18-19,25H,9-10,12-17H2,1H3,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276969 (US10072001, Example 145 | US10259811, Example 145) Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(O[C@H]2CCN(C[C@H]2F)C(=O)CO)c(c1)C#N |r| Show InChI InChI=1S/C34H36FN7O5/c1-45-31-13-21(2-4-28(31)41-10-8-40(9-11-41)24-18-46-19-24)27-14-25-33(37-20-38-34(25)39-27)22-3-5-29(23(12-22)15-36)47-30-6-7-42(16-26(30)35)32(44)17-43/h2-5,12-14,20,24,26,30,43H,6-11,16-19H2,1H3,(H,37,38,39)/t26-,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.481	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277029 (US10072001, Example 220 | US10259811, Example 220) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C30H30N6O4/c31-17-22-15-21(3-6-27(22)40-24-7-9-36(10-8-24)28(38)18-37)29-25-16-26(34-30(25)33-19-32-29)20-1-4-23(5-2-20)35-11-13-39-14-12-35/h1-6,15-16,19,24,37H,7-14,18H2,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.503	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277023 (US10072001, Example 200) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C28H28N6O2/c29-17-21-15-20(3-6-26(21)36-23-7-13-35-14-8-23)27-24-16-25(33-28(24)32-18-31-27)19-1-4-22(5-2-19)34-11-9-30-10-12-34/h1-6,15-16,18,23,30H,7-14H2,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.644	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276965 (US10072001, Example 141 | US10259811, Example 141) Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2(F)F)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C34H35F2N7O5/c1-46-29-13-21(2-4-27(29)42-10-8-41(9-11-42)24-17-47-18-24)26-14-25-32(38-20-39-33(25)40-26)22-3-5-28(23(12-22)15-37)48-30-6-7-43(31(45)16-44)19-34(30,35)36/h2-5,12-14,20,24,30,44H,6-11,16-19H2,1H3,(H,38,39,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.687	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276877 (US10072001, Example 63 | US10259811, Example 63) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H32N4O3/c32-21-24-19-23(5-8-30(24)38-26-10-16-36-17-11-26)27-9-12-33-31-28(27)20-29(34-31)22-3-6-25(7-4-22)37-18-15-35-13-1-2-14-35/h3-9,12,19-20,26H,1-2,10-11,13-18H2,(H,33,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.710	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276923 (US10072001, Example 214 | US10259811, Example 214) Show SMILES Cc1nc(-c2ccc(OC3CCOCC3)c(c2)C#N)c2nc([nH]c2n1)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C28H28N6O3/c1-18-30-25(20-4-7-24(21(16-20)17-29)37-23-8-12-35-13-9-23)26-28(31-18)33-27(32-26)19-2-5-22(6-3-19)34-10-14-36-15-11-34/h2-7,16,23H,8-15H2,1H3,(H,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.762	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276965 (US10072001, Example 141 | US10259811, Example 141) Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2(F)F)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C34H35F2N7O5/c1-46-29-13-21(2-4-27(29)42-10-8-41(9-11-42)24-17-47-18-24)26-14-25-32(38-20-39-33(25)40-26)22-3-5-28(23(12-22)15-37)48-30-6-7-43(31(45)16-44)19-34(30,35)36/h2-5,12-14,20,24,30,44H,6-11,16-19H2,1H3,(H,38,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.763	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276879 (US10072001, Example 65 | US10259811, Example 65) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C28H28N4O2/c1-32(2)18-19-3-5-20(6-4-19)26-16-25-24(9-12-30-28(25)31-26)21-7-8-27(22(15-21)17-29)34-23-10-13-33-14-11-23/h3-9,12,15-16,23H,10-11,13-14,18H2,1-2H3,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276868 (US10072001, Example 54 | US10259811, Example 54) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C29H29N5O2/c30-19-22-17-21(3-6-28(22)36-24-8-15-35-16-9-24)25-7-10-32-29-26(25)18-27(33-29)20-1-4-23(5-2-20)34-13-11-31-12-14-34/h1-7,10,17-18,24,31H,8-9,11-16H2,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.810	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277059 (US10072001, Example 251 | US10259811, Example 251) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C30H32N8O3/c1-36-12-14-37(15-13-36)23-5-2-20(3-6-23)29-34-28-27(32-19-33-30(28)35-29)21-4-7-25(22(16-21)17-31)41-24-8-10-38(11-9-24)26(40)18-39/h2-7,16,19,24,39H,8-15,18H2,1H3,(H,32,33,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.815	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276933 (US10072001, Example 109 | US10259811, Example 109) Show SMILES CC(C)(O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C27H26N4O3/c1-27(2,32)20-6-3-17(4-7-20)23-14-22-25(29-16-30-26(22)31-23)18-5-8-24(19(13-18)15-28)34-21-9-11-33-12-10-21/h3-8,13-14,16,21,32H,9-12H2,1-2H3,(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.821	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276981 (US10072001, Example 157 | US10259811, Example 157) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C33H35N7O4/c34-17-24-15-23(3-6-30(24)44-27-7-9-40(10-8-27)31(42)18-41)32-28-16-29(37-33(28)36-21-35-32)22-1-4-25(5-2-22)38-11-13-39(14-12-38)26-19-43-20-26/h1-6,15-16,21,26-27,41H,7-14,18-20H2,(H,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.849	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277037 (US10072001, Example 229 | US10259811, Example 229) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C32H34N6O4/c33-19-24-17-23(5-8-29(24)42-26-9-13-38(14-10-26)30(40)20-39)31-27-18-28(36-32(27)35-21-34-31)22-3-6-25(7-4-22)41-16-15-37-11-1-2-12-37/h3-8,17-18,21,26,39H,1-2,9-16,20H2,(H,34,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.851	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276906 (US10072001, Example 105 | US10259811, Example 105) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C31H32N6O3/c32-17-23-15-22(3-6-29(23)40-26-7-13-38-14-8-26)30-27-16-28(35-31(27)34-20-33-30)21-1-4-24(5-2-21)36-9-11-37(12-10-36)25-18-39-19-25/h1-6,15-16,20,25-26H,7-14,18-19H2,(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.870	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277059 (US10072001, Example 251 | US10259811, Example 251) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C30H32N8O3/c1-36-12-14-37(15-13-36)23-5-2-20(3-6-23)29-34-28-27(32-19-33-30(28)35-29)21-4-7-25(22(16-21)17-31)41-24-8-10-38(11-9-24)26(40)18-39/h2-7,16,19,24,39H,8-15,18H2,1H3,(H,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.883	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276949 (US10072001, Example 125 | US10259811, Example 125) Show SMILES COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-10-12-41-13-11-36)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-8-37(9-7-23)29(39)18-38/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276896 (US10072001, Example 82 | US10259811, Example 82) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C30H31N5O2/c1-34-12-14-35(15-13-34)24-5-2-21(3-6-24)28-19-27-26(8-11-32-30(27)33-28)22-4-7-29(23(18-22)20-31)37-25-9-16-36-17-10-25/h2-8,11,18-19,25H,9-10,12-17H2,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277072 (US10072001, Example 264) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC(F)F)CC1 Show InChI InChI=1S/C32H33F2N7O3/c33-29(34)18-39-11-13-40(14-12-39)24-4-1-21(2-5-24)27-16-26-31(36-20-37-32(26)38-27)22-3-6-28(23(15-22)17-35)44-25-7-9-41(10-8-25)30(43)19-42/h1-6,15-16,20,25,29,42H,7-14,18-19H2,(H,36,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276960 (US10072001, Example 136 | US10259811, Example 136) Show SMILES COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C29H29N5O4/c1-35-27-15-19(2-4-25(27)34-8-12-37-13-9-34)24-16-23-28(31-18-32-29(23)33-24)20-3-5-26(21(14-20)17-30)38-22-6-10-36-11-7-22/h2-5,14-16,18,22H,6-13H2,1H3,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277037 (US10072001, Example 229 | US10259811, Example 229) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C32H34N6O4/c33-19-24-17-23(5-8-29(24)42-26-9-13-38(14-10-26)30(40)20-39)31-27-18-28(36-32(27)35-21-34-31)22-3-6-25(7-4-22)41-16-15-37-11-1-2-12-37/h3-8,17-18,21,26,39H,1-2,9-16,20H2,(H,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276982 (US10072001, Example 158 | US10259811, Example 158) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(N2CCOCC2)c(F)c1 Show InChI InChI=1S/C30H29FN6O4/c31-24-14-19(1-3-26(24)36-9-11-40-12-10-36)25-15-23-29(33-18-34-30(23)35-25)20-2-4-27(21(13-20)16-32)41-22-5-7-37(8-6-22)28(39)17-38/h1-4,13-15,18,22,38H,5-12,17H2,(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276967 (US10072001, Example 143 | US10259811, Example 143) Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C32H34N6O4/c1-39-30-15-21(2-4-28(30)38-10-8-37(9-11-38)24-18-41-19-24)27-16-26-31(34-20-35-32(26)36-27)22-3-5-29(23(14-22)17-33)42-25-6-12-40-13-7-25/h2-5,14-16,20,24-25H,6-13,18-19H2,1H3,(H,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277023 (US10072001, Example 200) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C28H28N6O2/c29-17-21-15-20(3-6-26(21)36-23-7-13-35-14-8-23)27-24-16-25(33-28(24)32-18-31-27)19-1-4-22(5-2-19)34-11-9-30-10-12-34/h1-6,15-16,18,23,30H,7-14H2,(H,31,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.03	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276969 (US10072001, Example 145 | US10259811, Example 145) Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(O[C@H]2CCN(C[C@H]2F)C(=O)CO)c(c1)C#N |r| Show InChI InChI=1S/C34H36FN7O5/c1-45-31-13-21(2-4-28(31)41-10-8-40(9-11-41)24-18-46-19-24)27-14-25-33(37-20-38-34(25)39-27)22-3-5-29(23(12-22)15-36)47-30-6-7-42(16-26(30)35)32(44)17-43/h2-5,12-14,20,24,26,30,43H,6-11,16-19H2,1H3,(H,37,38,39)/t26-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276921 (US10072001, Example 212) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C28H29N7O2/c1-34-10-12-35(13-11-34)22-5-2-19(3-6-22)27-32-26-25(30-18-31-28(26)33-27)20-4-7-24(21(16-20)17-29)37-23-8-14-36-15-9-23/h2-7,16,18,23H,8-15H2,1H3,(H,30,31,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.08	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276958 (US10072001, Example 134 | US10259811, Example 134) Show SMILES COc1cc(ccc1N1CCN(CC1)C(=O)CO)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-8-10-37(11-9-36)29(39)18-38)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-12-41-13-7-23/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.09	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276985 (US10072001, Example 161 | US10259811, Example 161) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C32H33N7O4/c1-37-12-14-39(15-13-37)32(42)22-4-2-21(3-5-22)27-17-26-30(34-20-35-31(26)36-27)23-6-7-28(24(16-23)18-33)43-25-8-10-38(11-9-25)29(41)19-40/h2-7,16-17,20,25,40H,8-15,19H2,1H3,(H,34,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.12	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276921 (US10072001, Example 212) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C28H29N7O2/c1-34-10-12-35(13-11-34)22-5-2-19(3-6-22)27-32-26-25(30-18-31-28(26)33-27)20-4-7-24(21(16-20)17-29)37-23-8-14-36-15-9-23/h2-7,16,18,23H,8-15H2,1H3,(H,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.14	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277010 (US10072001, Example 187 | US10259811, Example 187) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C30H30N6O3/c1-35-10-12-36(13-11-35)30(37)21-4-2-20(3-5-21)26-17-25-28(32-19-33-29(25)34-26)22-6-7-27(23(16-22)18-31)39-24-8-14-38-15-9-24/h2-7,16-17,19,24H,8-15H2,1H3,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.16	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276929 (US10072001, Example 306 | US10259811, Example 306) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C29H30N6O2/c1-34-12-14-35(15-13-34)23-5-2-20(3-6-23)28-32-27-25(8-11-31-29(27)33-28)21-4-7-26(22(18-21)19-30)37-24-9-16-36-17-10-24/h2-8,11,18,24H,9-10,12-17H2,1H3,(H,31,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.21	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276943 (US10072001, Example 119 | US10259811, Example 119) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1cccc(Cn2ccnc2)c1 Show InChI InChI=1S/C28H24N6O2/c29-15-22-13-21(4-5-26(22)36-23-6-10-35-11-7-23)27-24-14-25(33-28(24)32-17-31-27)20-3-1-2-19(12-20)16-34-9-8-30-18-34/h1-5,8-9,12-14,17-18,23H,6-7,10-11,16H2,(H,31,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.22	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276824 (US10072001, Example 10 | US10259811, Example 10) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C27H28N6O2/c28-15-19-13-18(1-2-26(19)35-22-6-11-34-12-7-22)23-5-10-30-27-24(23)14-25(32-27)20-16-31-33(17-20)21-3-8-29-9-4-21/h1-2,5,10,13-14,16-17,21-22,29H,3-4,6-9,11-12H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.22	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276943 (US10072001, Example 119 | US10259811, Example 119) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1cccc(Cn2ccnc2)c1 Show InChI InChI=1S/C28H24N6O2/c29-15-22-13-21(4-5-26(22)36-23-6-10-35-11-7-23)27-24-14-25(33-28(24)32-17-31-27)20-3-1-2-19(12-20)16-34-9-8-30-18-34/h1-5,8-9,12-14,17-18,23H,6-7,10-11,16H2,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.23	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277034 (US10072001, Example 226 | US10259811, Example 226) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C30H31N5O3/c31-19-23-17-22(5-8-28(23)38-25-9-14-36-15-10-25)29-26-18-27(34-30(26)33-20-32-29)21-3-6-24(7-4-21)37-16-13-35-11-1-2-12-35/h3-8,17-18,20,25H,1-2,9-16H2,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.24	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276945 (US10072001, Example 121 | US10259811, Example 121) Show SMILES Cc1cc(ccc1-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N)N1CCOCC1 Show InChI InChI=1S/C31H32N6O4/c1-20-14-23(36-10-12-40-13-11-36)3-4-25(20)27-16-26-30(33-19-34-31(26)35-27)21-2-5-28(22(15-21)17-32)41-24-6-8-37(9-7-24)29(39)18-38/h2-5,14-16,19,24,38H,6-13,18H2,1H3,(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.28	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276868 (US10072001, Example 54 | US10259811, Example 54) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C29H29N5O2/c30-19-22-17-21(3-6-28(22)36-24-8-15-35-16-9-24)25-7-10-32-29-26(25)18-27(33-29)20-1-4-23(5-2-20)34-13-11-31-12-14-34/h1-7,10,17-18,24,31H,8-9,11-16H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.28	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277049 (US10072001, Example 241 | US10259811, Example 241) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(N2CCOCC2)c(F)c1 Show InChI InChI=1S/C29H28FN7O4/c30-22-14-19(1-3-23(22)36-9-11-40-12-10-36)28-34-27-26(32-17-33-29(27)35-28)18-2-4-24(20(13-18)15-31)41-21-5-7-37(8-6-21)25(39)16-38/h1-4,13-14,17,21,38H,5-12,16H2,(H,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276899 (US10072001, Example 85 | US10259811, Example 85) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C32H33N5O3/c33-19-24-17-23(3-6-31(24)40-27-8-15-38-16-9-27)28-7-10-34-32-29(28)18-30(35-32)22-1-4-25(5-2-22)36-11-13-37(14-12-36)26-20-39-21-26/h1-7,10,17-18,26-27H,8-9,11-16,20-21H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.31	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276984 (US10072001, Example 160 | US10259811, Example 160) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C31H30N6O5/c32-17-23-15-22(5-6-27(23)42-24-7-9-36(10-8-24)28(39)18-38)29-25-16-26(35-30(25)34-19-33-29)20-1-3-21(4-2-20)31(40)37-11-13-41-14-12-37/h1-6,15-16,19,24,38H,7-14,18H2,(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.32	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277008 (US10072001, Example 185 | US10259811, Example 185) Show SMILES O=C(N1CCCC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C29H27N5O3/c30-17-22-15-21(7-8-26(22)37-23-9-13-36-14-10-23)27-24-16-25(33-28(24)32-18-31-27)19-3-5-20(6-4-19)29(35)34-11-1-2-12-34/h3-8,15-16,18,23H,1-2,9-14H2,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.33	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276829 (US10072001, Example 15 | US10259811, Example 15) Show SMILES OCC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1 |r| Show InChI InChI=1S/C30H29N5O4/c31-17-22-15-21(3-6-28(22)39-24-8-10-35(18-24)29(37)19-36)25-7-9-32-30-26(25)16-27(33-30)20-1-4-23(5-2-20)34-11-13-38-14-12-34/h1-7,9,15-16,24,36H,8,10-14,18-19H2,(H,32,33)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.34	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276950 (US10072001, Example 126 | US10259811, Example 126) Show SMILES COc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C27H25N5O4/c1-35-20-5-2-17(3-6-20)23-13-22-26(29-16-30-27(22)31-23)18-4-7-24(19(12-18)14-28)36-21-8-10-32(11-9-21)25(34)15-33/h2-7,12-13,16,21,33H,8-11,15H2,1H3,(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.34	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276823 (US10072001, Example 9 | US10259811, Example 9) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CNC1 Show InChI InChI=1S/C25H24N6O2/c26-11-17-9-16(1-2-24(17)33-20-4-7-32-8-5-20)21-3-6-28-25-22(21)10-23(30-25)18-12-29-31(15-18)19-13-27-14-19/h1-3,6,9-10,12,15,19-20,27H,4-5,7-8,13-14H2,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.41	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277024 (US10072001, Example 215) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C29H30N6O4S/c1-40(36,37)35-12-10-34(11-13-35)23-5-2-20(3-6-23)26-17-25-28(31-19-32-29(25)33-26)21-4-7-27(22(16-21)18-30)39-24-8-14-38-15-9-24/h2-7,16-17,19,24H,8-15H2,1H3,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.42	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276981 (US10072001, Example 157 | US10259811, Example 157) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C33H35N7O4/c34-17-24-15-23(3-6-30(24)44-27-7-9-40(10-8-27)31(42)18-41)32-28-16-29(37-33(28)36-21-35-32)22-1-4-25(5-2-22)38-11-13-39(14-12-38)26-19-43-20-26/h1-6,15-16,21,26-27,41H,7-14,18-20H2,(H,35,36,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.43	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276999 (US10072001, Example 176 | US10259811, Example 176) Show SMILES OCC(=O)N1CCC(Oc2cnc(cc2C#N)-c2ccnc3[nH]c(cc23)-c2ccc(cc2)N2CCN(CC2)C2COC2)C(F)(F)C1 Show InChI InChI=1S/C33H33F2N7O4/c34-33(35)20-42(31(44)17-43)8-6-30(33)46-29-16-38-28(13-22(29)15-36)25-5-7-37-32-26(25)14-27(39-32)21-1-3-23(4-2-21)40-9-11-41(12-10-40)24-18-45-19-24/h1-5,7,13-14,16,24,30,43H,6,8-12,17-20H2,(H,37,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.44	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276871 (US10072001, Example 57 | US10259811, Example 57) Show SMILES O=C(CC#N)N1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C32H30N6O3/c33-11-7-31(39)38-15-13-37(14-16-38)25-4-1-22(2-5-25)29-20-28-27(8-12-35-32(28)36-29)23-3-6-30(24(19-23)21-34)41-26-9-17-40-18-10-26/h1-6,8,12,19-20,26H,7,9-10,13-18H2,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.46	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276998 (US10072001, Example 175) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)C1=CCC2(CC1)OCCO2 |t:32| Show InChI InChI=1S/C28H29N5O5/c29-15-20-13-19(1-2-24(20)38-21-5-9-33(10-6-21)25(35)16-34)26-22-14-23(32-27(22)31-17-30-26)18-3-7-28(8-4-18)36-11-12-37-28/h1-3,13-14,17,21,34H,4-12,16H2,(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.46	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276986 (US10072001, Example 162 | US10259811, Example 162) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C31H30N6O4/c32-17-23-15-22(7-8-27(23)41-24-9-13-36(14-10-24)28(39)18-38)29-25-16-26(35-30(25)34-19-33-29)20-3-5-21(6-4-20)31(40)37-11-1-2-12-37/h3-8,15-16,19,24,38H,1-2,9-14,18H2,(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.48	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair

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